General Information of the Compound
| Compound ID |
CP0943097
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| Compound Name |
(S)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C26H20ClF3N2O4
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| Molecular Weight |
516.903
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C26H20ClF3N2O4/c27-20-12-18(26(28,29)30)8-9-23(20)36-14-15-4-3-5-16(10-15)24(33)32-22(25(34)35)11-17-13-31-21-7-2-1-6-19(17)21/h1-10,12-13,22,31H,11,14H2,(H,32,33)(H,34,35)/t22-/m0/s1
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| InChIKey |
POFZCAMMPIDZBY-QFIPXVFZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound